Compound Identification
SMILES
CC[C@H]1C(Br)C(=O)C=C[C@]1(O)C[S@@](=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=ONUUVIPVUSIOBO-TVQGMVAQSA-N
Formula
C16H19BrO3S
Mass
371.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl sulfoxides
Alternative Parents
Toluenes Cyclohexenones Tertiary alcohols Alpha-haloketones Sulfoxides Sulfinyl compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenyl sulfoxide - Toluene - Cyclohexenone - Alpha-haloketone - Tertiary alcohol - Ketone - Sulfoxide - Cyclic ketone - Sulfinyl compound - Organic oxide - Organic oxygen compound - Alkyl bromide - Organosulfur compound - Organooxygen compound - Organobromide - Organohalogen compound - Alcohol - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
External Descriptors
Not available